N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide

C20H18N4O3 — CID 90766636

IUPACN-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide
SMILESCOc1ccc2c(Nc3cccc(NC(C)=O)c3)c(C#N)cnc2c1OC
InChIInChI=1S/C20H18N4O3/c1-12(25)23-14-5-4-6-15(9-14)24-18-13(10-21)11-22-19-16(18)7-8-17(26-2)20(19)27-3/h4-9,11H,1-3H3,(H,22,24)(H,23,25)
InChIKeyWPTARPPBPJGMGD-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.83
Rot. Bonds5

About N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide

N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide (PubChem CID 90766636) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide
PubChem CID90766636
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide
SMILESCOc1ccc2c(Nc3cccc(NC(C)=O)c3)c(C#N)cnc2c1OC
InChIInChI=1S/C20H18N4O3/c1-12(25)23-14-5-4-6-15(9-14)24-18-13(10-21)11-22-19-16(18)7-8-17(26-2)20(19)27-3/h4-9,11H,1-3H3,(H,22,24)(H,23,25)
InChIKeyWPTARPPBPJGMGD-UHFFFAOYSA-N
XLogP3.83
TPSA96.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chloroanilino)-8-methoxyquinoline-3-carbonitrile
CID 27371729
N-[3-[[6-(carbamoylamino)-3-cyanoquinolin-4-yl]amino]phenyl]acetamide
CID 155817353
4-(3-hydroxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328853
8-methoxy-4-(4-methoxyanilino)quinoline-3-carbonitrile;hydrochloride
CID 123132875
N-[8-(2-aminopropan-2-yl)-4-(3-bromoanilino)-3-cyanoquinolin-6-yl]acetamide
CID 70147654
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
(E)-N-[4-(3-bromoanilino)-3-cyano-8-methoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 11102890
3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzonitrile
CID 110434481
4-(4-ethoxyanilino)-8-methoxyquinoline-3-carbonitrile;hydrochloride
CID 146055685
6-methoxy-4-(3-methoxyanilino)quinoline-3-carbonitrile
CID 50768424
4-(3-chloro-4-methoxyanilino)-6,7-dimethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055597
methyl 3-[(7,8-dimethoxyquinazolin-4-yl)amino]benzoate
CID 110434452

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide (CID 90766636) is N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide is COc1ccc2c(Nc3cccc(NC(C)=O)c3)c(C#N)cnc2c1OC.
What is the InChIKey of N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide?
The InChIKey is WPTARPPBPJGMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12(25)23-14-5-4-6-15(9-14)24-18-13(10-21)11-22-19-16(18)7-8-17(26-2)20(19)27-3/h4-9,11H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide?
N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide has a molecular weight of 362.39 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyano-7,8-dimethoxyquinolin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 90766636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).